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CHEBI:169904 - Tiazuril

ChEBI IDCHEBI:169904
ChEBI NameTiazuril
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14ClN3O2S
Net Charge0
Average Mass359.838
Monoisotopic Mass359.04953
SMILESCc1cc(-n2ncc(=O)nc2=O)cc(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2S/c1-10-7-13(21-17(23)20-15(22)9-19-21)8-11(2)16(10)24-14-5-3-12(18)4-6-14/h3-9H,1-2H3,(H,20,22,23)
InChIKeyYLEMUUWGEWKCGK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Tiazuril (CHEBI:169904) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
2-[4-(4-chlorophenyl)sulanyl-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione
Manual XrefsDatabases
HMDB0031833HMDB
64513ChemSpider
D06131KEGG DRUG
Registry NumbersSources
CAS:35319-70-1ChemIDplus